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3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
SpectraBase Compound ID GruggoWqb4W
InChI InChI=1S/C13H10N2O2S/c1-8-10-7-11(13(16)17)18-12(10)15(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKey KIBNFCSPPOYXPP-UHFFFAOYSA-N
Mol Weight 258.29 g/mol
Molecular Formula C13H10N2O2S
Exact Mass 258.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfcQhpp6Dge
Name 3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
Alternate Name(s) 3-Methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 3-Methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid
CAS Registry Number 24086-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O2S
InChI InChI=1S/C13H10N2O2S/c1-8-10-7-11(13(16)17)18-12(10)15(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKey KIBNFCSPPOYXPP-UHFFFAOYSA-N
Molecular Weight 258.295 g/mol
SMILES OC(c1cc2c([n](nc2C)-c2ccccc2)s1)=O
SPLASH splash10-0pdi-8290000000-ad954ee62a9ca7b992cf
Source of Spectrum Y1-35-716-6
Wiley ID 1526772